Geometry & MOs

Info

ID:	68909
PubChem CID:	46511537
Reduced:	N3O6C13H13 (1)
Stoich.:	A3B6C13D13 (1)
Weight, g/mol:	338.106671
ΔH_f, kcal/mol:	-138.14
Dipole, Da:	6.7
IP(EA), eV:	-10.17(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations